5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide

C15H20N4O3S2 — CID 122353531

IUPAC5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)s1
InChIInChI=1S/C15H20N4O3S2/c1-2-13-3-4-14(23-13)24(20,21)17-11-12-5-6-16-15(18-12)19-7-9-22-10-8-19/h3-6,17H,2,7-11H2,1H3
InChIKeyJOZZGQOMZZQOFK-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.42
Rot. Bonds6

About 5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide

5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 122353531) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID122353531
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)s1
InChIInChI=1S/C15H20N4O3S2/c1-2-13-3-4-14(23-13)24(20,21)17-11-12-5-6-16-15(18-12)19-7-9-22-10-8-19/h3-6,17H,2,7-11H2,1H3
InChIKeyJOZZGQOMZZQOFK-UHFFFAOYSA-N
XLogP1.42
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
CID 122353235
5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255149
4-[4-[(dimethylsulfamoylamino)methyl]pyrimidin-2-yl]morpholine
CID 122353348
1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 122353575
2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353594
2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967427
5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 112981153
3-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122353565
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
5-ethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714698
5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide
CID 71792745
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353047

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide (CID 122353531) is 5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)s1.
What is the InChIKey of 5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is JOZZGQOMZZQOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-2-13-3-4-14(23-13)24(20,21)17-11-12-5-6-16-15(18-12)19-7-9-22-10-8-19/h3-6,17H,2,7-11H2,1H3.
What are the key properties of 5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide?
5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 368.48 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122353531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).